N-(4-piperidin-1-ylsulfonylphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-(4-piperidin-1-ylsulfonylphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[4-(1-piperidylsulfonyl)phenyl]-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[4-(1-piperidinylsulfonyl)phenyl]-4-(1-pyrrolidin-1-iumylmethyl)benzamide IUPAC Name: N-(4-piperidin-1-ylsulfonylphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-(4-piperidinosulfonylphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C23H29N3O3S/c27-23(20-8-6-19(7-9-20)18-25-14-4-5-15-25)24-21-10-12-22(13-11-21)30(28,29)26-16-2-1-3-17-26/h6-13H,1-5,14-18H2,(H,24,27)/p+1